| CAS Number | 675-37-6 |
| Catalog Number | AG01B69P |
| Chemical Name | 1,1-difluoro-2-isothiocyanatoethane |
| IUPAC Name | 1,1-difluoro-2-isothiocyanatoethane |
| InChI | InChI=1S/C3H3F2NS/c4-3(5)1-6-2-7/h3H,1H2 |
| InChI Key | QSYFXGFOOGXXBK-UHFFFAOYSA-N |
| MDL Number | MFCD24202049 |
| Molecular Formula | C3H3F2NS |
| Molecular Weight | 123.1244 |
| SMILES | FC(CN=C=S)F |
| Synonyms | 1,1-difluoro-2-isothiocyanatoethane,
675-37-6,
SCHEMBL11785912,
ZINC143559537,
|
| Complexity | 86.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 122.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 123.121g/mol |
| Monoisotopic Mass | 122.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number